SCHEMBL780503

SCHEMBL780503

C[C@@H](Nc1cnc2cc(-c3cn[nH]c3)ccc2n1)c1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PFKFB3 Q16875 4/20 0.43
KRAS P01116 1/20 0.40
SOS1 Q07889 1/20 0.40
DYRK1A Q13627 2/20 0.39
WNT1 P04628 1/20 0.39
GSK3B P49841 1/20 0.39
RPS6KA3 P51812 1/20 0.39
GRK2 P25098 2/20 0.38
MAP4K1 Q92918 1/20 0.38
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 1/20 0.36
JAK3 P52333 2/20 0.36
JAK2 O60674 1/20 0.36
PRKD1 Q15139 1/20 0.36
PRKD2 Q9BZL6 1/20 0.36
TBK1 Q9UHD2 1/20 0.36
HRH4 Q9H3N8 1/20 0.36
CLK2 P49760 1/20 0.36
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL16161587 0.99 PFKFB3 (0.42) PFKFB3KRASSOS1DYRK1AWNT1
SCHEMBL27868791 0.82 KCNH2 (0.43) PFKFB3JAK3JAK2HRH4NPC1
SCHEMBL780785 0.82 KCNH2 (0.43) PFKFB3JAK3JAK2HRH4NPC1
SCHEMBL781546 0.82 SOS1 (0.48) PFKFB3KRASSOS1GRK2ROCK2
SCHEMBL20572297 0.82 LATS1 (0.47) KRASSOS1GRK2ROCK2ROCK1
SCHEMBL783340 0.82 LATS1 (0.47) KRASSOS1GRK2ROCK2ROCK1
SCHEMBL780504 0.82 LATS1 (0.47) KRASSOS1GRK2ROCK2ROCK1
SCHEMBL781815 0.81 ROCK1 (0.42) DYRK1AWNT1GSK3BRPS6KA3MAP4K1
SCHEMBL780463 0.81 ROCK2 (0.46) PFKFB3KRASSOS1DYRK1AGRK2
SCHEMBL782846 0.81 ROCK2 (0.48) PFKFB3KRASSOS1DYRK1AGRK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2435423-B1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P70S6 KINASE SENTINEL ONCOLOGY LTD (GB) 2014-10-15 EP claimed
US-8716473-B2 Substituted benzotriazines and quinoxalines as inhibitors of P7OS6 kinase SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US claimed
US-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2012-03-22 US claimed
WO-2010136755-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2010-12-02 WO claimed
EP-2435423-B1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P70S6 KINASE SENTINEL ONCOLOGY LTD (GB) 2014-10-15 EP disclosed
EP-2435423-B1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P70S6 KINASE SENTINEL ONCOLOGY LTD (GB) 2014-10-15 EP disclosed
US-8716473-B2 Substituted benzotriazines and quinoxalines as inhibitors of P7OS6 kinase SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US disclosed
US-8716473-B2 Substituted benzotriazines and quinoxalines as inhibitors of P7OS6 kinase SENTINEL ONCOLOGY LIMITED (GB) 2014-05-06 US disclosed
US-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2012-03-22 US disclosed
US-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2012-03-22 US disclosed
US-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2012-03-22 US disclosed
WO-2010136755-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2010-12-02 WO disclosed
WO-2010136755-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE SENTINEL ONCOLOGY LIMITED (GB) 2010-12-02 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120071478-A1 SUBSTITUTED BENZOTRIAZINES AND QUINOXALINES AS INHIBITORS OF P7OS6 KINASE CDK1, CDK2, CDK6 PFKFB3 479/4885KRAS 355/4885SOS1 917/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.